4GGH

Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-27
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	92.948, 209.550, 208.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.616 - 1.900
R-factor	0.1694
Rwork	0.168
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r25
RMSD bond length	0.008
RMSD bond angle	1.096
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.775	208.468	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.033	0.592
Total number of observations		29137	98996
Number of reflections	158060
<I/σ(I)>	11.1	19.3	1.1
Completeness [%]	99.2	99.8	98.4
Redundancy	5	5.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (10 mM Hepes, 150 mM NaCl, 10% glycerol, 1 mM DTT, 5 mM MgCl); Reservoir (200 mM NaCl, 0.1 M Hepes, 25% Peg3350); Cryoprotection (Reservoir, + 20% ethylene glycol and 50 mM MgCl), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K